UCSF

ZINC08587046

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 10.38 -14.22 0 4 0 38 353.853 3
Lo Low (pH 4.5-6) 3.58 11.19 -29.11 1 4 1 39 354.861 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )